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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Mar-2025 | streptomycin_CONF359_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2110.01497823; Eh | |||
 | 21-Mar-2025 | streptomycin_CONF263_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2110.01262532; Eh | |||
 | 21-Mar-2025 | streptomycin_CONF348_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2109.94624665; Eh | |||
 | 21-Mar-2025 | pyrimethanil_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -629.45214206; Eh | |||
 | 21-Mar-2025 | oxytetracycline_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1639.56686058; Eh | |||
 | 21-Mar-2025 | oxytetracycline_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1639.56622938; Eh | |||
 | 21-Mar-2025 | mepanipyrim_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -705.59282688; Eh | |||
 | 21-Mar-2025 | mepanipyrim_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -705.57977326; Eh | |||
 | 21-Mar-2025 | cyprodinil_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -706.84829517; Eh | |||
 | 21-Mar-2025 | blasticidin-S_CONF81_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.90935215; Eh |
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